SCHEMBL3723926

SCHEMBL3723926

CC(C)(O)c1cc(-c2cncc(-c3cnn(C4CCNCC4)c3)c2)cc(-c2ccccn2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.47
IRAK1 P51617 1/20 0.47
MAP4K3 Q8IVH8 7/20 0.45
MET P08581 2/20 0.45
FLT3 P36888 1/20 0.45
PAK1 Q13153 2/20 0.43
ALK Q9UM73 3/20 0.43
PIM1 P11309 1/20 0.43
INPPL1 O15357 1/20 0.42
JAK2 O60674 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
KCNH2 Q12809 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3719655 0.90 IRAK4 (0.43) IRAK4IRAK1MAP4K3METFLT3
SCHEMBL17287917 0.87 MET (0.42) IRAK4IRAK1MAP4K3METFLT3
SCHEMBL3718389 0.84 MAP4K3 (0.53) IRAK4IRAK1MAP4K3METFLT3
SCHEMBL3715497 0.84 IRAK4 (0.48) IRAK4IRAK1MAP4K3METPAK1
SCHEMBL3722316 0.83 ACVR1B (0.43) IRAK4IRAK1METPIM1
SCHEMBL3719529 0.82 MAP4K3 (0.47) IRAK4IRAK1MAP4K3METPAK1
SCHEMBL3716555 0.79 NTRK1 (0.57) IRAK4IRAK1MAP4K3METPAK1
SCHEMBL3723604 0.76 ABL1 (0.46)
SCHEMBL3724847 0.75 ACVR1B (0.44) IRAK1METALKPIM1
SCHEMBL3717523 0.74 MET (0.48) METFLT3JAK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090215776-A1 Organic compounds REN, RXFP1, MYLK IRAK4 569/4885IRAK1 356/4885MAP4K3 3134/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.